4-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C18H18BrNO4/c1-10-6-12(3)17(14(19)7-10)24-9-16(21)20-15-5-4-13(18(22)23)8-11(15)2/h4-8H,9H2,1-3H3,(H,20,21)(H,22,23)